Analyte Name

Methyl 2-(4-(Benzo[d][1,3]dioxol-5-yl)-1-methyl-7-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-8(4H)-yl)acetate

Molecular Formula

C23 H21 N3 O5 S

Molecular Weight

451.495

Accurate Mass

451.12

SMILES

COC(=O)CN1C(=O)CSC(c2ccc3OCOc3c2)c4c(nn(C)c14)c5ccccc5

InChI

InChI=1S/C23H21N3O5S/c1-25-23-20(21(24-25)14-6-4-3-5-7-14)22(15-8-9-16-17(10-15)31-13-30-16)32-12-18(27)26(23)11-19(28)29-2/h3-10,22H,11-13H2,1-2H3

IUPAC

methyl 2-[4-(1,3-benzodioxol-5-yl)-1-methyl-7-oxo-3-phenyl-4H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat